methyl 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC=C)C2CCCC2

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC=C)C2CCCC2

InChI

InChI=1S/C13H19N3O2S/c1-3-8-16-12(10-6-4-5-7-10)14-15-13(16)19-9-11(17)18-2/h3,10H,1,4-9H2,2H3